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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H61N11O10
Molecular Weight 904.0228
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DABK

SMILES

N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(O)=O

InChI

InChIKey=VCEHWDBVPZFHAG-POFDKVPJSA-N
InChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)/t29-,30-,31-,32-,33-,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H61N11O10
Molecular Weight 904.0228
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:38:26 GMT 2023
Edited
by admin
on Sat Dec 16 15:38:26 GMT 2023
Record UNII
58QE2VVE3Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DABK
Common Name English
desArg9-BK
Common Name English
BRADYKININ(1-8)
Common Name English
9-Des-arg-BK
Common Name English
9-De-arg-bradykinin
Common Name English
[Des-Arg9]-BRADYKININ
Common Name English
DES-ARG9 BRADYKININ
Common Name English
ALANINE, N-(1-(N-(N-(N-(1-(1-L-ARGINYL-L-PROLYL)-L-PROLYL)GLYCYL)-3-PHENYL-L-ALANYL)-L-SERYL)-L-PROLYL)-3-PHENYL-
Common Name English
Code System Code Type Description
CAS
15958-92-6
Created by admin on Sat Dec 16 15:38:26 GMT 2023 , Edited by admin on Sat Dec 16 15:38:26 GMT 2023
PRIMARY
FDA UNII
58QE2VVE3Q
Created by admin on Sat Dec 16 15:38:26 GMT 2023 , Edited by admin on Sat Dec 16 15:38:26 GMT 2023
PRIMARY
PUBCHEM
105044
Created by admin on Sat Dec 16 15:38:26 GMT 2023 , Edited by admin on Sat Dec 16 15:38:26 GMT 2023
PRIMARY
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TARGET -> AGONIST
ENZYME->SUBSTRATE
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ACTIVE MOIETY